6XXG

Structure of truncated 1-deoxy-D-xylulose 5-phosphate synthase (DXS) from Deinococcus radiodurans

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	72.321, 87.367, 181.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.549 - 2.099
Rwork	0.191
R-free	0.23600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2o1x
RMSD bond length	0.006
RMSD bond angle	1.402
Data reduction software	XDS (VERSION Mar 15, 2019 BUILT=20190315)
Data scaling software	XDS (VERSION Mar 15, 2019 BUILT=20190315)
Phasing software	MOLREP (Vers 11.7.02; 29.05.2019)
Refinement software	REFMAC (5.8.0253)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.549	2.175
High resolution limit [Å]	2.099	2.100
Number of reflections	67987	6677
<I/σ(I)>	5.87
Completeness [%]	99.1	99.48
Redundancy	2
CC(1/2)	0.913	0.444

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2 M Calcium acetate hydrate, 0.1 M Tris, 20 % PEG 4000